| Molecular fields in quantitative structure–permeation relationships: the VolSurf approach G Cruciani, P Crivori, PA Carrupt, B Testa Journal of Molecular Structure: THEOCHEM 503 (1-2), 17-30, 2000 | 731 | 2000 |
| GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors M Pastor, G Cruciani, I McLay, S Pickett, S Clementi Journal of medicinal chemistry 43 (17), 3233-3243, 2000 | 644 | 2000 |
| Predicting blood− brain barrier permeation from three-dimensional molecular structure P Crivori, G Cruciani, PA Carrupt, B Testa Journal of medicinal chemistry 43 (11), 2204-2216, 2000 | 594 | 2000 |
| Generating optimal linear PLS estimations (GOLPE): an advanced chemometric tool for handling 3D‐QSAR problems M Baroni, G Costantino, G Cruciani, D Riganelli, R Valigi, S Clementi Quantitative Structure‐Activity Relationships 12 (1), 9-20, 1993 | 586 | 1993 |
| MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist G Cruciani, E Carosati, B De Boeck, K Ethirajulu, C Mackie, T Howe, ... Journal of medicinal chemistry 48 (22), 6970-6979, 2005 | 551 | 2005 |
| VolSurf: a new tool for the pharmacokinetic optimization of lead compounds G Cruciani, M Pastor, W Guba European Journal of Pharmaceutical Sciences 11, S29-S39, 2000 | 537 | 2000 |
| Vitamin E: Emerging aspects and new directions F Galli, A Azzi, M Birringer, JM Cook-Mills, M Eggersdorfer, J Frank, ... Free Radical Biology and Medicine 102, 16-36, 2017 | 513 | 2017 |
| A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application M Baroni, G Cruciani, S Sciabola, F Perruccio, JS Mason Journal of chemical information and modeling 47 (2), 279-294, 2007 | 513 | 2007 |
| Antileishmanial chalcones: Statistical design, synthesis, and three-dimensional quantitative structure− activity relationship analysis SF Nielsen, SB Christensen, G Cruciani, A Kharazmi, T Liljefors Journal of Medicinal Chemistry 41 (24), 4819-4832, 1998 | 447 | 1998 |
| Progress in predicting human ADME parameters in silico S Ekins, CL Waller, PW Swaan, G Cruciani, SA Wrighton, JH Wikel Journal of pharmacological and toxicological methods 44 (1), 251-272, 2000 | 388 | 2000 |
| New and Original pKa Prediction Method Using Grid Molecular Interaction Fields F Milletti, L Storchi, G Sforna, G Cruciani Journal of chemical information and modeling 47 (6), 2172-2181, 2007 | 346 | 2007 |
| GRID/CPCA: a new computational tool to design selective ligands MA Kastenholz, M Pastor, G Cruciani, EEJ Haaksma, T Fox Journal of Medicinal Chemistry 43 (16), 3033-3044, 2000 | 271 | 2000 |
| Hydrogen bonding interactions of covalently bonded fluorine atoms: from crystallographic data to a new angular function in the GRID force field E Carosati, S Sciabola, G Cruciani Journal of Medicinal Chemistry 47 (21), 5114-5125, 2004 | 266 | 2004 |
| Computational approaches to identifying and characterizing protein binding sites for ligand design S Henrich, OMH Salo‐Ahen, B Huang, FF Rippmann, G Cruciani, ... Journal of Molecular Recognition: An Interdisciplinary Journal 23 (2), 209-219, 2010 | 264 | 2010 |
| Comparative molecular field analysis using GRID force-field and GOLPE variable selection methods in a study of inhibitors of glycogen phosphorylase b G Cruciani, KA Watson Journal of medicinal chemistry 37 (16), 2589-2601, 1994 | 203 | 1994 |
| Predicting drug metabolism: a site of metabolism prediction tool applied to the cytochrome P450 2C9 I Zamora, L Afzelius, G Cruciani Journal of medicinal chemistry 46 (12), 2313-2324, 2003 | 199 | 2003 |
| A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields F Broccatelli, E Carosati, A Neri, M Frosini, L Goracci, TI Oprea, ... Journal of medicinal chemistry 54 (6), 1740-1751, 2011 | 188 | 2011 |
| Smart region definition: a new way to improve the predictive ability and interpretability of three-dimensional quantitative structure− activity relationships M Pastor, G Cruciani, S Clementi Journal of medicinal chemistry 40 (10), 1455-1464, 1997 | 186 | 1997 |
| Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP) G Cruciani, M Baroni, S Clementi, G Costantino, D Riganelli, ... Journal of Chemometrics 6 (6), 335-346, 1992 | 166 | 1992 |
| LC/MS lipid profiling from human serum: a new method for global lipid extraction RM Pellegrino, A Di Veroli, A Valeri, L Goracci, G Cruciani Analytical and bioanalytical chemistry 406, 7937-7948, 2014 | 165 | 2014 |
